4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide

C20H25ClN2O3S — CID 2678518

IUPAC4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccc1Cl
InChIInChI=1S/C20H25ClN2O3S/c1-5-23(6-2)27(25,26)19-13-15(11-12-17(19)21)20(24)22-18-10-8-7-9-16(18)14(3)4/h7-14H,5-6H2,1-4H3,(H,22,24)
InChIKeyPJJVYMYUOHBWBR-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.75
Rot. Bonds7

About 4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide

4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 2678518) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
PubChem CID2678518
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccc1Cl
InChIInChI=1S/C20H25ClN2O3S/c1-5-23(6-2)27(25,26)19-13-15(11-12-17(19)21)20(24)22-18-10-8-7-9-16(18)14(3)4/h7-14H,5-6H2,1-4H3,(H,22,24)
InChIKeyPJJVYMYUOHBWBR-UHFFFAOYSA-N
XLogP4.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 26290598
4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide
CID 8503404
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 56581135
methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate
CID 17475289
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide
CID 17452883
4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide
CID 6915635
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2670785
N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide
CID 2670766
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 2665643
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide (CID 2678518) is 4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is PJJVYMYUOHBWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-5-23(6-2)27(25,26)19-13-15(11-12-17(19)21)20(24)22-18-10-8-7-9-16(18)14(3)4/h7-14H,5-6H2,1-4H3,(H,22,24).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide?
4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 408.95 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 2678518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).